4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide

C11H7Cl2FN2O2 — CID 17095607

IUPAC4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-5-9(13)10(18-16-5)11(17)15-6-2-3-8(14)7(12)4-6/h2-4H,1H3,(H,15,17)
InChIKeyIFFMMOZQOFTFJC-UHFFFAOYSA-N
MW289.09 g/mol
LogP3.68
Rot. Bonds2

About 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide

4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 17095607) has the molecular formula C11H7Cl2FN2O2 and a molecular weight of 289.09 g/mol. Its IUPAC name is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID17095607
Molecular FormulaC11H7Cl2FN2O2
Molecular Weight289.09 g/mol
Exact Mass287.99
IUPAC Name4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1noc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl
InChIInChI=1S/C11H7Cl2FN2O2/c1-5-9(13)10(18-16-5)11(17)15-6-2-3-8(14)7(12)4-6/h2-4H,1H3,(H,15,17)
InChIKeyIFFMMOZQOFTFJC-UHFFFAOYSA-N
XLogP3.68
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-4-fluorophenyl)-3-methylisoxazole-5-carboxamide
CID 8065341
4-chloro-N-(3-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 16194510
4-chloro-N-(5-chloro-2-hydroxyphenyl)-3-methylisoxazole-5-carboxamide
CID 17095605
N-(4-acetylphenyl)-4-chloro-3-methyl-1,2-oxazole-5-carboxamide
CID 17095608
4-chloro-N-(3-chlorophenyl)-3-methylisoxazole-5-carboxamide
CID 20868352
4-Chloro-3-methyl-N-[2-(methylsulfanyl)phenyl]-1,2-oxazole-5-carboxamide
CID 5307577
4-Chloro-3-methylisoxazol-5-yl 4-(4-fluorophenyl)piperazinyl ketone
CID 5308711
N-(3-chlorophenyl)-5-propyl-1,2-oxazole-3-carboxamide
CID 5308713
4-chloro-3-methyl-N-(4-methylphenyl)-5-isoxazolecarboxamide
CID 9550985
4-chloro-N-(4-ethylphenyl)-3-methyl-5-isoxazolecarboxamide
CID 9550988
4-Chloro-3-methylisoxazol-5-yl 4-phenylpiperazinyl ketone
CID 17095612
4-chloro-N-(4-cyanophenyl)-3-methylisoxazole-5-carboxamide
CID 24761546

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide (CID 17095607) is 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is Cc1noc(C(=O)Nc2ccc(F)c(Cl)c2)c1Cl.
What is the InChIKey of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is IFFMMOZQOFTFJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2FN2O2/c1-5-9(13)10(18-16-5)11(17)15-6-2-3-8(14)7(12)4-6/h2-4H,1H3,(H,15,17).
What are the key properties of 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide?
4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 289.09 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(3-chloro-4-fluorophenyl)-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).